UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

410231
410231

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Popular Name: 5-[cycloheptyl(methyl)amino]-1,3,4-thiadiazole-2-thiol 5-[cycloheptyl(methyl)amino]-1,3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.68 6.79 -42.6 0 3 -1 29 242.393 2 ↓

Analogs

3296791
3296791

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Popular Name: 2-[[5-[cycloheptyl(methyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetic 2-[[5-[cycloheptyl(methyl)amino]…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.13 8.25 -46.16 0 5 -1 69 300.429 5 ↓

Analogs

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Popular Name: 1-(1,3,4-thiadiazol-2-ylamino)cycloheptanecarboxylic 1-(1,3,4-thiadiazol-2-ylamino)cy…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.26 5.45 -53.77 1 5 -1 78 240.308 3 ↓

Analogs

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Popular Name: N-cycloheptyl-1,3,4-thiadiazol-2-amine N-cycloheptyl-1,3,4-thiadiazol-2…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.92 4.74 -6.7 1 3 0 38 197.307 2 ↓

Analogs

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Popular Name: (1R,2S)-N1-(1,3,4-thiadiazol-2-yl)cycloheptane-1,2-diamine (1R,2S)-N1-(1,3,4-thiadiazol-2-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 2.51 -50.54 4 4 1 65 213.33 2 ↓

Analogs

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Popular Name: (1S,2S)-N1-(1,3,4-thiadiazol-2-yl)cycloheptane-1,2-diamine (1S,2S)-N1-(1,3,4-thiadiazol-2-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 2.77 -46.24 4 4 1 65 213.33 2 ↓

Analogs

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Popular Name: (1R,2R)-N1-(1,3,4-thiadiazol-2-yl)cycloheptane-1,2-diamine (1R,2R)-N1-(1,3,4-thiadiazol-2-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 2.75 -44.93 4 4 1 65 213.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N1-(1,3,4-thiadiazol-2-yl)cycloheptane-1,2-diamine (1S,2R)-N1-(1,3,4-thiadiazol-2-y…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.28 2.51 -50.54 4 4 1 65 213.33 2 ↓

Parameters Provided:

ring.id = 5097
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 5097 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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